Fermi Surface Changes Research Articles

Temperature-dependent and magnetism-controlled Fermi surface changes in magnetic Weyl semimetals

Quantum oscillation measurements reveal that in magnetic Weyl semimetals NdAlSi and CeAlSi${}_{0.8}$Ge${}_{0.2}$, the areas of extremal orbits on Fermi surfaces change remarkably with varying temperature; such changes depend on the local spin configurations and magnetic-field directions. The temperature dependence of Fermi surfaces is demonstrated to be a result of the exchange coupling between the localized 4$f$ electrons and the itinerant 5$d$ electrons.

Superconductivity and magnetic and transport properties of single-crystalline CaK(Fe1−xCrx)4As4

Members of the CaK(Fe$_{1-x}$Cr$_{x}$)$_{4}$As$_{4}$ series have been synthesized by high-temperature solution growth in single crystalline form and characterized by X-ray diffraction, elemental analysis, magnetic and transport measurements. The effects of Cr substitution on the superconducting and magnetic ground states of CaKFe$_4$As$_4$ ($T_c$ = 35 K) have been studied. These measurements show that the superconducting transition temperature decreases monotonically and is finally suppressed below 1.8 K as $x$ is increased from 0 to 0.038. The magnetic transition temperature increases in a roughly linear manner as Cr substitution increases. A temperature-composition (\textit{T}-\textit{x}) phase diagram is constructed, revealing a half-dome of superconductivity with the magnetic transition temperature, $T^*$, appearing near 22~K for $x$ $\sim$ 0.017 and rising slowly up to 60~K for $x$ $\sim$ 0.077. The $T$-$x$ phase diagrams for CaK(Fe$_{1-x}$$T$$_{x}$)$_4$As$_4$ for $T$ = Cr and Mn are essentially the same despite the nominally different band filling; this is in marked contrast to $T$ = Co and Ni series for which the $T$-$x$ diagrams scale by a factor of two, consistent with the different changes in band filling Co and Ni would produce when replacing Fe. Superconductivity of CaK(Fe$_{1-x}$Cr$_{x}$)$_{4}$As$_{4}$ is also studied as a function of magnetic field. A clear change in $H^\prime_{c2}$($T$)/$T_c$, where $H^\prime_{c2}$($T$) is d$H_{c2}$($T$)/d$T$, at $x$ $\sim$ 0.012 is observed and probably is related to change of the Fermi surface due to magnetic order. Coherence length and the London penetration depths are also calculated based on $H_{c1}$ and $H_{c2}$ data. Coherence lengths as the function of $x$ also shows changes near $x$ = 0.012, again consistent with Fermi surfaces changes associated with the magnetic ordering seen for higher $x$-values.

Nonlinear bosonization of Fermi surfaces: The method of coadjoint orbits

We develop a method for bosonizing the Fermi surface based on the formalism of the coadjoint orbits. This allows one to parametrize the Fermi surface by a bosonic field that depends on the spacetime coordinates and on the position on the Fermi surface. The Wess-Zumino-Witten term in the effective action, governing the adiabatic phase acquired when the Fermi surface changes its shape, is completely fixed. As an effective field theory the action also involves a Hamiltonian, which contains, beside the kinetic energy and the Landau interaction, terms with arbitrary number of derivatives and fields. We show that the resulting local effective field theory captures both linear and nonlinear effects in Landau's Fermi liquid theory. The approach can be extended to incorporate spin degrees of freedom and the charge-2 fields corresponding to the BCS order parameter.

Quantum phase transitions in CePdAl probed by ultrasonic and thermoelectric measurements

CePdAl has been recently recognized as a frustrated antiferromagnetic heavy-fermion compound with a pressure- or field-tuned, extended quantum critical phase at zero temperature. Identifying characteristic signatures of the emerging quantum critical phase, which are expected to be distinct from those near a quantum critical point, remains challenging. In this work, by performing ultrasonic and thermoelectric measurements down to very low temperatures in a 3He–4He dilution refrigerator in the presence of magnetic field, we are able to obtain some crucial thermodynamic and thermal transport features of the quantum critical phase, including a frustration-related elastic softening detected by ultrasound and a Fermi-surface change probed by thermoelectric effect.

Thermodynamic and electronic properties of ReN2 polymorphs at high pressure

High pressure synthesis of rhenium nitride pernitride ReN$_2$ with crystal structure unusual for transition metal dinitrides and high values of hardness and bulk modulus attracted significant attention to this system. We investigate the thermodynamic and electronic properties of the P2$_1$/c phase of ReN$_2$ and compare them with two other polytypes, C2/m and P4/mbm phases suggested in the literature. Our calculations of the formation enthalpy at zero temperature show that the former phase is the most stable of the three up to pressure p=170 GPa, followed by the stabilization of the P4/mbm phase at higher pressure. The theoretical prediction is confirmed by diamond anvil cell synthesis of the P4/mbm ReN$_2$ at $\approx$175 GPa. Considering the effects of finite temperature in the quasi-harmonic approximation at p=100 GPa we demonstrate that the P2$_1$/c phase has the lowest free energy of formation at least up to 1000 K. Our analysis of the pressure dependence of the electronic structure of the rhenium nitride pernitride shows a presence of two electronic topological transitions around 18 GPa, when the Fermi surface changes its topology due to an appearance of a new electron pocket at the high-symmetry Y$_2$ point of the Brillouin zone while the disruption of a neck takes place slightly off from the $\Gamma$-A line.

Anisotropic quantum Hall states in the presence of interactions with fourfold rotational symmetry

We study the effects of anisotropic interactions in the quantum Hall effect in the presence of a fourfold discrete rotational ($C_4$) symmetry. Employing the density matrix renormalization group technique on an infinite cylinder geometry (iDMRG), we calculate the anisotropy response of the Laughlin state at $\nu=1/3$ and the composite-Fermi liquid (CFL) state at $\nu=1/2$. We find that the anisotropy transferred from the interaction potential to the $\nu=1/3$ state is stronger when compared to the complementary case of an anisotropic band. Further, the strength of anisotropy reduces as the interaction is made shorter ranged. Quite surprisingly, at $\nu=1/2$, we find that the deformation in the CF Fermi-surface changes sign as the interaction range is reduced. Our results imply that the short-distance and long-distance parts of the interaction potential have opposite effects on the CFL state in the presence of $C_4$-symmetric anisotropy.

Hole-like Fermi surface in the overdoped non-superconducting Bi1.8 Pb0.4 Sr2CuO6+δ

In high-temperature cuprate superconductors, the anti-ferromagnetic spin fluctuations are thought to have a very important role in naturally producing an attractive interaction between the electrons in the d-wave channel. The connection between superconductivity and spin fluctuations is expected to be especially consequential at the overdoped end point of the superconducting dome. In some materials, that point seems to coincide with a Lifshitz transition, where the Fermi surface changes from the hole-like centered at to the electron-like, centered at the Γ point causing a loss of large momentum anti-ferromagnetic fluctuations. Here, we study the doping dependence of the electronic structure of Bi1.8Pb0.4Sr2CuO in angle-resolved photoemission and find that the superconductivity vanishes at lower doping than that at which the Lifshitz transition occurs. This requires a more detailed re-examination of a spin fluctuation scenario.

Distinct pairing symmetries of superconductivity in infinite-layer nickelates

We report theoretical predictions on the pairing symmetry of the newly discovered superconducting nickelate Nd$_{1-x}$Sr$_{x}$NiO$_{2}$ based on the renormalized mean-field theory for a generalized model Hamiltonian proposed in [Phys. Rev. B \textbf{101}, 020501(R)]. For practical values of the key parameters, we find a transition between a gapped ($d+is$)-wave pairing state in the small doping region to a gapless $d$-wave pairing state in the large doping region, accompanied by an abrupt Fermi surface change at the critical doping. Our overall phase diagram also shows the possibility of a ($d+is$)- to $s$-wave transition if the electron hybridization is relatively small. In either case, the low-doping ($d+is$)-wave state is a gapped superconducting state with broken time-reversal symmetry. Our results are in qualitative agreement with recent experimental observations and predict several key features to be examined in future measurements.

Orbital gyrotropic magnetoelectric effect and its strain engineering in monolayer NbX2

Electrical control of the orbital degrees of freedom is an important area of research in the emerging field of "orbitronics." Orbital {\it gyrotropic} magneto-electric effect (OGME) is the generation of an orbital magnetization in a nonmagnetic metal by an applied electric field. Here, we show that strain induces a large GME in the monolayer Nb$X_2$ ($X =$ S, Se) normal to the plane, primarily driven by the orbital moments of the Bloch bands as opposed to the conventional spin magnetization, without any need for spin-orbit coupling. The key physics is captured within an effective two-band valley-orbital model and it is shown to be driven by three key ingredients: the intrinsic valley orbital moment, broken $C_{3z}$ symmetry, and strain-induced Fermi surface changes. The effect can be furthermore switched by changing the strain condition, with potential for future device applications.

Electronic correlations in uranium hydride UH5 under pressure

We report results of calculations based on density functional theory and dynamical mean-field theory for the electronic structure of uranium hydride UH5 under pressure, a compound of the uranium-based hydride family some members of which have been predicted to be superconducting. The effective electronic mass enhancement m*/m ∼ 1.4 indicates that the Coulomb correlations have a moderate strength. However, the topology of the Fermi surface changes strongly at the influence of the correlation effects: one hourglass-like pocket running along the Γ–A direction splits into two elliptical pockets centered at the A point. This result shows the possibility of an unconventional pairing mechanism for uranium hydrides in addition to the electron–phonon pairing that was studied in previous investigations.

Calculations of quantum oscillations in cuprate superconductors considering the pseudogap

The observations of quantum oscillations frequencies in overdoped cuprates were in agreement with a charge density contained in a cylindrical Fermi surface but the measured frequencies of underdoped compounds were much smaller than expected. This was attributed to a topological transition into small pockets of Fermi surface associated with the existence of charge density waves. On the other hand, spectroscopic measurements suggested that the large two-dimensional Fermi surface changes continuously into a set of four disconnected arcs. Here we take into account the effect of the pseudogap that limits the available k-space area where the Landau levels are developed on the Luttinger theorem and obtain the correct total carrier densities. The calculations show how the disconnected arcs evolve into a closed Fermi surface reconciling the experiments.

Ferromagnetic fluctuations in the Rashba-Hubbard model

We study the occurrence and the origin of ferromagnetic fluctuations in the longitudinal spin susceptibility of the $t$-$t'$-Rashba-Hubbard model on the square lattice. The combined effect of the second-neighbor hopping $t'$ and the spin-orbit coupling leads to ferromagnetic fluctuations in a broad filling region. The spin-orbit coupling splits the energy bands, leading to two van Hove fillings, where the sheets of the Fermi surface change their topology. Between these two van Hove fillings the model shows ferromagnetic fluctuations. We find that these ferromagnetic fluctuations originate from interband contributions to the spin susceptibility. These interband contributions only arise if there is one holelike and one electronlike Fermi surface, which is the case for fillings in between the two van Hove fillings. We discuss implications for experimental systems and propose a test on how to identify these types of ferromagnetic fluctuations in experiments.

Catastrophe theory classification of Fermi surface topological transitions in two dimensions

We classify all possible singularities in the electronic dispersion of two-dimensional systems that occur when the Fermi surface changes topology, using catastrophe theory. For systems with up to seven control parameters (i.e., pressure, strain, bias voltage, etc), the theory guarantees that the singularity belongs to to one of seventeen standard types. We show that at each of these singularities the density of states diverges as a power law, with a universal exponent characteristic of the particular catastrophe, and we provide its universal ratio of amplitudes of the prefactors of energies above and below the singularity. We further show that crystal symmetry restricts which types of catastrophes can occur at the points of high symmetry in the Brillouin zone. For each of the seventeen wallpaper groups in two-dimensions, we list which catastrophes are possible at each high symmetry point.

Angle-dependent magnetoresistance and its implications for Lifshitz transition in W2As3

Lifshitz transition represents a sudden reconstruction of Fermi surface structure, giving rise to anomalies in electronic properties of materials. Such a transition does not necessarily rely on symmetry-breaking and thus is topological. It holds a key to understand the origin of many exotic quantum phenomena, for example, the mechanism of extremely large magnetoresistance (MR) in topological Dirac/Weyl semimetals. Here, we report studies of the angle-dependent MR (ADMR) and the thermoelectric effect in W2As3 single crystal. The compound shows a large unsaturated MR (of about 7000% at 4.2 K and 53 T). The most striking finding is that the ADMR significantly deforms from the horizontal dumbbell-like shape above 40 K to the vertical lotus-like pattern below 30 K. The window of 30–40 K also corresponds substantial changes in Hall effect, thermopower and Nernst coefficient, implying an abrupt change of Fermi surface topology. Such a temperature-induced Lifshitz transition results in a compensation of electron-hole transport and the large MR as well. We thus suggest that the similar method can be applicable in detecting a Fermi-surface change of a variety of quantum states when a direct Fermi-surface measurement is not possible.

Adjusting Fermi Level of Graphene by Controlling the Linker Lengths of Dipolar Molecules.

Graphene modified by azo molecules has attracted much attention due to its promising graphene-enhanced Raman scattering (GERS) effect. Herein, we achieved the shortened distance between the dipole moment and graphene, by reducing the number of methylene groups and the chain length, and studied the Raman scattering in dipolar molecules/graphene hybrids. Whether for low or high concentrations, a more significant GERS signal can be observed, which can be attributed to the effective modulation of the dipole moment on interface energy level matching. Further, by fabricating FET devices, we demonstrate more obvious p-type and n-type doping in graphene that is affected by the chain length of the azobenzene molecule. On the basis of the dependence of the G band shift on the Fermi surface change, we further reveal the important role of dipole moment distance in dipolar molecules/graphene hybrids. These studies provide a new approach to optimize the interface matching between azobenzene and graphene and may help achieve more sensitive GERS detection.

Enhancement of the effective mass at high magnetic fields in CeRhIn5

The Kondo-lattice compound CeRhIn$_5$ displays a field-induced Fermi surface reconstruction at $B^*\approx30$ T, which occurs within the antiferromagnetic state, prior to the quantum critical point at $B_{c0}\approx50$ T. Here, in order to investigate the nature of the Fermi surface change, we measured the magnetostriction, specific heat, and magnetic torque of CeRhIn$_5$ across a wide range of magnetic fields. Our observations uncover the field-induced itineracy of the $4f$ electrons, where above $B_{\rm onset}\approx17$ T there is a significant enhancement of the Sommerfeld coefficient, and spin-dependent effective cyclotron masses determined from quantum oscillations. Upon crossing $B_{\rm onset}$, the temperature dependence of the specific heat also shows distinctly different behavior from that at low fields. Our results indicate that the Kondo coupling is remarkably robust upon increasing the magnetic field. This is ascribed to the delocalization of the $4f$ electrons at the Fermi surface reconstruction at $B^*$.

Enhanced Hybridization Sets the Stage for Electronic Nematicity in CeRhIn_{5}.

High magnetic fields induce a pronounced in-plane electronic anisotropy in the tetragonal antiferromagnetic metal CeRhIn_{5} at H^{*}≳30 T for fields ≃20° off the c axis. Here we investigate the response of the underlying crystal lattice in magnetic fields to 45T via high-resolution dilatometry. At low fields, a finite magnetic field component in the tetragonal ab plane explicitly breaks the tetragonal (C_{4}) symmetry of the lattice revealing a finite nematic susceptibility. A modest a-axis expansion at H^{*} hence marks the crossover to a fluctuating nematic phase with large nematic susceptibility. Magnetostriction quantum oscillations confirm a Fermi surface change at H^{*} with the emergence of new orbits. By analyzing the field-induced change in the crystal-field ground state, we conclude that the in-plane Ce 4f hybridization is enhanced at H^{*}, in agreement with the in-plane lattice expansion. We argue that the nematic behavior observed in this prototypical heavy-fermion material is of electronic origin, and is driven by the hybridization between 4f and conduction electrons which carries the f-electron anisotropy to the Fermi surface.

Pressure-induced superconductivity in topological semimetal NbAs2

Topological superconductivity with Majorana bound states, which are critical to implement nonabelian quantum computation, may be realized in three-dimensional semimetals with nontrivial topological feature, when superconducting transition occurs in the bulk. Here, we report pressure-induced superconductivity in a transition-metal dipnictide NbAs2. The emergence of superconductivity is not accompanied by any structural phase transition up to the maximum experimental pressure of 29.8 GPa, as supported by pressure-dependent synchrotron X-ray diffraction and Raman spectroscopy. Intriguingly, the Raman study reveals rapid phonon mode hardening and broadening above 10 GPa, in coincident with the superconducting transition. Using first-principle calculations, we determine Fermi surface change induced by pressure, which steadily increases the density of states without breaking the electron–hole compensation. Noticeably, the main hole pocket of NbAs2 encloses one time-reversal-invariant momenta of the monoclinic lattice, suggesting NbAs2 as a candidate of topological superconductors.

Angle-dependent magnetoresistance and quantum oscillations in high-mobility semimetal LuPtBi

The recent discovery of ultrahigh mobility and large positive magnetoresistance in the topologically non-trivial half-Heusler semimetal LuPtBi provides a unique playground for studying exotic physics and significant perspective for device applications. As an fcc-structured electron–hole-compensated semimetal, LuPtBi theoretically exhibits six symmetrically arranged anisotropic electron Fermi pockets and two nearly-spherical hole pockets, offering the opportunity to explore the physics of Fermi surfaces with simple angle-related magnetotransport properties. In this work, through angle-dependent transverse magnetoresistance measurements, in combination with high-field SdH quantum oscillations, we aimed to map out a Fermi surface with six anisotropic pockets in the high-temperature and low-field regime, and furthermore, identify a possible magnetic field driven Fermi surface change at lower temperatures. Reasons account for the Fermi surface change in LuPtBi are discussed in terms of the field-induced electron evacuation due to Landau quantization.

Memory-function conductivity formula and transport coefficients in underdoped cuprates

The two-band memory-function conductivity formula is derived from the quantum kinetic equation in the pseudogap state of underdoped cuprates. The conduction electrons are described by using the adiabatic version of the nested Fermi liquid model, and the effects of Mott correlations are taken into account phenomenologically. The linear dependence of the low-temperature effective number of conduction electrons on the doping level δ (for not too large δ) is found to be in agreement with experimental observation. The momentum distribution function turns out to play an important role in describing temperature effects. The closing of the antiferromagnetic pseudogap at temperatures of the order of room temperature is shown to be a direct consequence of a relatively large width of the quasiparticle peak in this distribution function. The coupling of conduction electrons to external magnetic fields is included in the two-band transport equations in the usual semiclassical way. It is shown that the low-temperature Hall number is proportional to δ as well (again for not too large δ) and that it exhibits singular behaviour when the Fermi surface changes from the hole-like shape into the electron-like shape.